ethanedioic acid; 1-[3-[(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)amino]propyl]pyrrolidin-2-one

Systemtic Name: ethanedioic acid; 1-[3-[(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)amino]propyl]pyrrolidin-2-one Openeye Name: oxalic acid; 1-[3-[(2-oxo-2-phenothiazin-10-yl-ethyl)amino]propyl]pyrrolidin-2-one CAS Name: oxalic acid; 1-[3-[[2-oxo-2-(10-phenothiazinyl)ethyl]amino]propyl]-2-pyrrolidinone IUPAC Name: oxalic acid; 1-[3-[(2-oxo-2-phenothiazin-10-ylethyl)amino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[(2-keto-2-phenothiazin-10-yl-ethyl)amino]propyl]-2-pyrrolidone; oxalic acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)N(C1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O2S.C2H2O4/c25-20-11-5-13-23(20)14-6-12-22-15-21(26)24-16-7-1-3-9-18(16)27-19-10-4-2-8-17(19)24;3-1(4)2(5)6/h1-4,7-10,22H,5-6,11-15H2;(H,3,4)(H,5,6)